CID 5283460

Chembl120935

Structural Information

Molecular Formula
C24H41NO2
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h8-9,11-12,14-15,17-18,26H,2-7,10,13,16,19-23H2,1H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-
InChIKey
CPDDSZIDSJTTSS-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)docosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.31372 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.32100 203.4
[M+Na]+ 398.30294 203.4
[M-H]- 374.30644 199.2
[M+NH4]+ 393.34754 214.7
[M+K]+ 414.27688 196.0
[M+H-H2O]+ 358.31098 195.7
[M+HCOO]- 420.31192 221.4
[M+CH3COO]- 434.32757 220.8
[M+Na-2H]- 396.28839 199.7
[M]+ 375.31317 207.1
[M]- 375.31427 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.